2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

C15H19N3O2S — CID 558752

IUPAC2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCCN1CCN(C2=NC(=O)C(=Cc3ccc(C)o3)S2)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-17-6-8-18(9-7-17)15-16-14(19)13(21-15)10-12-5-4-11(2)20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAYAXXJNQSVDCMI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.20
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one

2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (PubChem CID 558752) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
PubChem CID558752
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
SMILESCCN1CCN(C2=NC(=O)C(=Cc3ccc(C)o3)S2)CC1
InChIInChI=1S/C15H19N3O2S/c1-3-17-6-8-18(9-7-17)15-16-14(19)13(21-15)10-12-5-4-11(2)20-12/h4-5,10H,3,6-9H2,1-2H3
InChIKeyAYAXXJNQSVDCMI-UHFFFAOYSA-N
XLogP2.20
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_B(90)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-furylmethylene)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 773189
1-Ethyl-4-[3-(5-methyl-2-furyl)acryloyl]piperazine
CID 896582
2-[(5-methyl-2-furyl)methylene]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one
CID 1217918
5-(Furan-2-ylmethylidene)-2-morpholin-4-yl-1,3-thiazol-4-one
CID 229999
(5Z)-2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one
CID 1953653
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 1913123
2-(4-Ethyl-piperazin-1-yl)-5-(5-methyl-furan-2-ylmethylene)-thiazol-4-one
CID 1953655
(Z)-2-(furan-2-ylmethylene)-6,7-dihydro-2H-thiazolo[3,2-a]pyrimidin-3(5H)-one
CID 773191
(5E)-5-[(5-Methylfuran-2-YL)methylidene]-2-(4-methylpiperidin-1-YL)-4,5-dihydro-1,3-thiazol-4-one
CID 676201
5-[(5-Methyl(2-furyl))methylene]-2-(4-methylpiperidyl)-1,3-thiazolin-4-one
CID 676202
5-(Furan-2-ylmethylene)-2-morpholinothiazol-4(5H)-one
CID 704637
(5Z)-5-[(5-methylfuran-2-yl)methylidene]-2-(morpholin-4-yl)-1,3-thiazol-4(5H)-one
CID 704640

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one (CID 558752) is 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is CCN1CCN(C2=NC(=O)C(=Cc3ccc(C)o3)S2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
The InChIKey is AYAXXJNQSVDCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-17-6-8-18(9-7-17)15-16-14(19)13(21-15)10-12-5-4-11(2)20-12/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one?
2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one has a molecular weight of 305.40 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazol-4-one is sourced from PubChem (CID 558752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).